N-[4-(diethylamino)phenyl]dodecanamide;hydrochloride

C22H39ClN2O — CID 54599918

IUPACN-[4-(diethylamino)phenyl]dodecanamide;hydrochloride
SMILESCCCCCCCCCCCC(=O)Nc1ccc(N(CC)CC)cc1.Cl
InChIInChI=1S/C22H38N2O.ClH/c1-4-7-8-9-10-11-12-13-14-15-22(25)23-20-16-18-21(19-17-20)24(5-2)6-3;/h16-19H,4-15H2,1-3H3,(H,23,25);1H
InChIKeyPWFFWEPNTAUXKP-UHFFFAOYSA-N
MW383.02 g/mol
LogP6.81
Rot. Bonds14

About N-[4-(diethylamino)phenyl]dodecanamide;hydrochloride

N-[4-(diethylamino)phenyl]dodecanamide;hydrochloride (PubChem CID 54599918) has the molecular formula C22H39ClN2O and a molecular weight of 383.02 g/mol. Its IUPAC name is N-[4-(diethylamino)phenyl]dodecanamide;hydrochloride.

Molecular Properties

Compound NameN-[4-(diethylamino)phenyl]dodecanamide;hydrochloride
PubChem CID54599918
Molecular FormulaC22H39ClN2O
Molecular Weight383.02 g/mol
Exact Mass382.28
IUPAC NameN-[4-(diethylamino)phenyl]dodecanamide;hydrochloride
SMILESCCCCCCCCCCCC(=O)Nc1ccc(N(CC)CC)cc1.Cl
InChIInChI=1S/C22H38N2O.ClH/c1-4-7-8-9-10-11-12-13-14-15-22(25)23-20-16-18-21(19-17-20)24(5-2)6-3;/h16-19H,4-15H2,1-3H3,(H,23,25);1H
InChIKeyPWFFWEPNTAUXKP-UHFFFAOYSA-N
XLogP6.81
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds14
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500383.02
LogP ≤ 56.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[4-(diethylamino)phenyl]undecanamide
CID 4594726
N-[4-(diethylamino)phenyl]-N'-hydroxyoctanediamide
CID 166628013
N-[4-(icosanoylamino)phenyl]icosanamide
CID 101291044
5-bromo-N-[4-(diethylamino)phenyl]pentanamide
CID 107907428
N-(4-acetamidophenyl)hexanamide
CID 4953736
N-(4-chlorophenyl)tridecanamide
CID 4195215
4-[4-(diethylamino)anilino]-4-oxobutanoic acid
CID 722023
N-[[4-(diethylamino)phenyl]methylideneamino]octanamide
CID 3333467
3-[acetyl(butyl)amino]-N-[4-(diethylamino)phenyl]propanamide
CID 113115863
N-phenylpentacosanamide
CID 19025260
N-phenylheptatetracontanamide
CID 150503307
N-[4-[2-[4-(dodecanoylamino)phenyl]ethynyl]phenyl]dodecanamide
CID 102416980

Frequently Asked Questions

What is the IUPAC name of N-[4-(diethylamino)phenyl]dodecanamide;hydrochloride?
The IUPAC name of N-[4-(diethylamino)phenyl]dodecanamide;hydrochloride (CID 54599918) is N-[4-(diethylamino)phenyl]dodecanamide;hydrochloride.
What is the SMILES notation for N-[4-(diethylamino)phenyl]dodecanamide;hydrochloride?
The canonical SMILES for N-[4-(diethylamino)phenyl]dodecanamide;hydrochloride is CCCCCCCCCCCC(=O)Nc1ccc(N(CC)CC)cc1.Cl.
What is the InChIKey of N-[4-(diethylamino)phenyl]dodecanamide;hydrochloride?
The InChIKey is PWFFWEPNTAUXKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H38N2O.ClH/c1-4-7-8-9-10-11-12-13-14-15-22(25)23-20-16-18-21(19-17-20)24(5-2)6-3;/h16-19H,4-15H2,1-3H3,(H,23,25);1H.
What are the key properties of N-[4-(diethylamino)phenyl]dodecanamide;hydrochloride?
N-[4-(diethylamino)phenyl]dodecanamide;hydrochloride has a molecular weight of 383.02 g/mol, XLogP of 6.81, 14 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(diethylamino)phenyl]dodecanamide;hydrochloride is sourced from PubChem (CID 54599918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).